Molecule

ID:131439

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅ClN₂O₂
Molecular Mass
288.8135
Exact Mass
288.16045573
Charge
0
InChI
InChI=1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2
InChIKey
YECIFGHRMFEPJK-UHFFFAOYSA-N
Canonic Smiles
CCN(CC(=O)Nc1c(C)cccc1C)CC.O.Cl
Isomeric Smiles
CCN(CC)CC(=O)Nc1c(cccc1C)C.O.Cl
Calculated Properties
JChem
Acid pKa
13.775423
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6099084
LogD (pH = 7.4)
2.329713
Log P
2.8429134
Molar Refractivity
73.9296
Polarizability
27.641424
Polar Surface Area
32.34
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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